2-[2-(dimethylamino)ethyl]propanedioate;ethane-1,2-diamine;platinum(2+)

C9H19N3O4Pt — CID 71481446

IUPAC2-[2-(dimethylamino)ethyl]propanedioate;ethane-1,2-diamine;platinum(2+)
SMILESCN(C)CCC(C(=O)[O-])C(=O)[O-].NCCN.[Pt+2]
InChIInChI=1S/C7H13NO4.C2H8N2.Pt/c1-8(2)4-3-5(6(9)10)7(11)12;3-1-2-4;/h5H,3-4H2,1-2H3,(H,9,10)(H,11,12);1-4H2;/q;;+2/p-2
InChIKeyBPRIBQSFSOHRHN-UHFFFAOYSA-L
MW428.35 g/mol
LogP-4.04
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl]propanedioate;ethane-1,2-diamine;platinum(2+)

2-[2-(dimethylamino)ethyl]propanedioate;ethane-1,2-diamine;platinum(2+) (PubChem CID 71481446) has the molecular formula C9H19N3O4Pt and a molecular weight of 428.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]propanedioate;ethane-1,2-diamine;platinum(2+).

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]propanedioate;ethane-1,2-diamine;platinum(2+)
PubChem CID71481446
Molecular FormulaC9H19N3O4Pt
Molecular Weight428.35 g/mol
Exact Mass428.10
IUPAC Name2-[2-(dimethylamino)ethyl]propanedioate;ethane-1,2-diamine;platinum(2+)
SMILESCN(C)CCC(C(=O)[O-])C(=O)[O-].NCCN.[Pt+2]
InChIInChI=1S/C7H13NO4.C2H8N2.Pt/c1-8(2)4-3-5(6(9)10)7(11)12;3-1-2-4;/h5H,3-4H2,1-2H3,(H,9,10)(H,11,12);1-4H2;/q;;+2/p-2
InChIKeyBPRIBQSFSOHRHN-UHFFFAOYSA-L
XLogP-4.04
TPSA135.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.35
LogP ≤ 5-4.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]propanedioate;ethane-1,2-diamine;platinum(2+)?
The IUPAC name of 2-[2-(dimethylamino)ethyl]propanedioate;ethane-1,2-diamine;platinum(2+) (CID 71481446) is 2-[2-(dimethylamino)ethyl]propanedioate;ethane-1,2-diamine;platinum(2+).
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]propanedioate;ethane-1,2-diamine;platinum(2+)?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]propanedioate;ethane-1,2-diamine;platinum(2+) is CN(C)CCC(C(=O)[O-])C(=O)[O-].NCCN.[Pt+2].
What is the InChIKey of 2-[2-(dimethylamino)ethyl]propanedioate;ethane-1,2-diamine;platinum(2+)?
The InChIKey is BPRIBQSFSOHRHN-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H13NO4.C2H8N2.Pt/c1-8(2)4-3-5(6(9)10)7(11)12;3-1-2-4;/h5H,3-4H2,1-2H3,(H,9,10)(H,11,12);1-4H2;/q;;+2/p-2.
What are the key properties of 2-[2-(dimethylamino)ethyl]propanedioate;ethane-1,2-diamine;platinum(2+)?
2-[2-(dimethylamino)ethyl]propanedioate;ethane-1,2-diamine;platinum(2+) has a molecular weight of 428.35 g/mol, XLogP of -4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]propanedioate;ethane-1,2-diamine;platinum(2+) is sourced from PubChem (CID 71481446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).